1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide

C16H27N3O — CID 61476262

IUPAC1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCCCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27N3O/c1-2-10-19-11-6-14(7-12-19)18-15(20)16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20)
InChIKeyAFZCBXXYWLIXKF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds4

About 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide

1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 61476262) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID61476262
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCCCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27N3O/c1-2-10-19-11-6-14(7-12-19)18-15(20)16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20)
InChIKeyAFZCBXXYWLIXKF-UHFFFAOYSA-N
XLogP2.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 61476262) is 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide is CCCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1.
What is the InChIKey of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is AFZCBXXYWLIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-10-19-11-6-14(7-12-19)18-15(20)16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20).
What are the key properties of 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide?
1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61476262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).